4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide

C21H27N3O — CID 7929054

IUPAC4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C(/C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H27N3O/c1-6-24(7-2)20-12-10-18(11-13-20)21(25)23-22-17(5)19-9-8-15(3)16(4)14-19/h8-14H,6-7H2,1-5H3,(H,23,25)/b22-17-
InChIKeyWKZMMXHMONPUTK-XLNRJJMWSA-N
MW337.47 g/mol
LogP4.30
Rot. Bonds6

About 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide

4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide (PubChem CID 7929054) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
PubChem CID7929054
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C(/C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H27N3O/c1-6-24(7-2)20-12-10-18(11-13-20)21(25)23-22-17(5)19-9-8-15(3)16(4)14-19/h8-14H,6-7H2,1-5H3,(H,23,25)/b22-17-
InChIKeyWKZMMXHMONPUTK-XLNRJJMWSA-N
XLogP4.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
CID 19685204
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
4-(diethylamino)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 7929088
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
CID 7929117
N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide
CID 5099857
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 28588338
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 21370947
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide
CID 4681796

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide (CID 7929054) is 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide is CCN(CC)c1ccc(C(=O)N/N=C(/C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide?
The InChIKey is WKZMMXHMONPUTK-XLNRJJMWSA-N. The full InChI is InChI=1S/C21H27N3O/c1-6-24(7-2)20-12-10-18(11-13-20)21(25)23-22-17(5)19-9-8-15(3)16(4)14-19/h8-14H,6-7H2,1-5H3,(H,23,25)/b22-17-.
What are the key properties of 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide?
4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide has a molecular weight of 337.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 7929054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).